ethyl 5-cyano-6-[3-[(2,5-dimethylfuran-3-yl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[3-[(2,5-dimethylfuran-3-yl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-[(2,5-dimethyl-3-furyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[(2,5-dimethyl-3-furanyl)sulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-[(2,5-dimethylfuran-3-yl)sulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(2,5-dimethyl-3-furyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid ethyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)C3=C(OC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)C3=C(OC(=C3)C)C)C

InChI

InChI=1S/C20H22N4O6S/c1-5-29-20(26)16-7-14(8-21)18(22-12(16)3)24-9-15(10-24)19(25)23-31(27,28)17-6-11(2)30-13(17)4/h6-7,15H,5,9-10H2,1-4H3,(H,23,25)